이름: 4-(4-{2-[2-(6-benzyloxy-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-8-yl)-2-hydroxyethylamino]-2-methylpropyl}phenoxy)butyric acid
SMILES:
CC(C)(Cc1ccc(OCCCC(=O)O)cc1)NCC(O)c1cc(OCc2ccccc2)cc2c1OCC(=O)N2Molecular Processing
Molecular formula
C31H36N2O7
Molecular weight
548.64
Exact mass
548.2523
XLogP
4.48
TPSA
126.35
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
150.89
Supplementary Information
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